[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone

C16H24ClN3OS — CID 119946201

IUPAC[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CCCNC1
InChIInChI=1S/C16H24ClN3OS/c1-16(5-2-6-18-12-16)15(21)20-9-7-19(8-10-20)11-13-3-4-14(17)22-13/h3-4,18H,2,5-12H2,1H3
InChIKeyLNZUGXVLWQXZBQ-UHFFFAOYSA-N
MW341.91 g/mol
LogP2.44
Rot. Bonds3

About [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone (PubChem CID 119946201) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
PubChem CID119946201
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CCCNC1
InChIInChI=1S/C16H24ClN3OS/c1-16(5-2-6-18-12-16)15(21)20-9-7-19(8-10-20)11-13-3-4-14(17)22-13/h3-4,18H,2,5-12H2,1H3
InChIKeyLNZUGXVLWQXZBQ-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944666
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 60937005
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119832696
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64684882
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
(E)-4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 60954103
1-[4-(3-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 63131526
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813296
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491432

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone (CID 119946201) is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CCCNC1.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The InChIKey is LNZUGXVLWQXZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3OS/c1-16(5-2-6-18-12-16)15(21)20-9-7-19(8-10-20)11-13-3-4-14(17)22-13/h3-4,18H,2,5-12H2,1H3.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone has a molecular weight of 341.91 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 119946201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).